1-butyl-3-ethylpiperidin-1-ium fluoride

C11H24FN — CID 171571636

IUPAC1-butyl-3-ethylpiperidin-1-ium fluoride
SMILESCCCC[NH+]1CCCC(CC)C1.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-5-8-12-9-6-7-11(4-2)10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyIFNHUJPCCBGAFX-UHFFFAOYSA-N
MW189.32 g/mol
LogP-1.50
Rot. Bonds4

About 1-butyl-3-ethylpiperidin-1-ium fluoride

1-butyl-3-ethylpiperidin-1-ium fluoride (PubChem CID 171571636) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-butyl-3-ethylpiperidin-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-3-ethylpiperidin-1-ium fluoride
PubChem CID171571636
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name1-butyl-3-ethylpiperidin-1-ium fluoride
SMILESCCCC[NH+]1CCCC(CC)C1.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-5-8-12-9-6-7-11(4-2)10-12;/h11H,3-10H2,1-2H3;1H
InChIKeyIFNHUJPCCBGAFX-UHFFFAOYSA-N
XLogP-1.50
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3-ethylpiperidin-1-ium acetate
CID 171571404
3-ethyl-1-hexylpiperidin-1-ium cyanide
CID 171569610
1-dodecyl-3-ethylpiperidin-1-ium cyanide
CID 171569818
3-butyl-1-propylpiperidin-1-ium fluoride
CID 171570345
3-ethyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570160
3-butyl-1-pentylpiperidin-1-ium chloride
CID 171570455
1,3-di(icosyl)piperidin-1-ium bromide
CID 162511793
1,3-di(nonadecyl)piperidin-1-ium chloride
CID 162511824
1-hexyl-3-propylpiperidin-1-ium chloride
CID 171571494
1,3-di(nonyl)piperidin-1-ium bromide
CID 162511915
3-butyl-1-propylpiperidin-1-ium cyanide
CID 171570482
3-ethyl-1-nonylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615785

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethylpiperidin-1-ium fluoride?
The IUPAC name of 1-butyl-3-ethylpiperidin-1-ium fluoride (CID 171571636) is 1-butyl-3-ethylpiperidin-1-ium fluoride.
What is the SMILES notation for 1-butyl-3-ethylpiperidin-1-ium fluoride?
The canonical SMILES for 1-butyl-3-ethylpiperidin-1-ium fluoride is CCCC[NH+]1CCCC(CC)C1.[F-].
What is the InChIKey of 1-butyl-3-ethylpiperidin-1-ium fluoride?
The InChIKey is IFNHUJPCCBGAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.FH/c1-3-5-8-12-9-6-7-11(4-2)10-12;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 1-butyl-3-ethylpiperidin-1-ium fluoride?
1-butyl-3-ethylpiperidin-1-ium fluoride has a molecular weight of 189.32 g/mol, XLogP of -1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethylpiperidin-1-ium fluoride is sourced from PubChem (CID 171571636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).